3-[[2,2-bis(fluoranyl)-3-oxidanyl-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid

Systemtic Name: 3-[[2,2-bis(fluoranyl)-3-oxidanyl-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Openeye Name: 3-[[4-(benzyloxycarbonylamino)-2,2-difluoro-3-hydroxy-5-phenyl-pentanoyl]amino]propanoic acid CAS Name: 3-[[2,2-difluoro-3-hydroxy-1-oxo-5-phenyl-4-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid IUPAC Name: 3-[[2,2-difluoro-3-hydroxy-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Traditional Name: 3-[[4-(benzyloxycarbonylamino)-2,2-difluoro-3-hydroxy-5-phenyl-pentanoyl]amino]propionic acid Formula: C22H24F2N2O6 MolecularWeight: 450.432566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(C(=O)NCCC(=O)O)(F)F)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C(C(=O)NCCC(=O)O)(F)F)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24F2N2O6/c23-22(24,20(30)25-12-11-18(27)28)19(29)17(13-15-7-3-1-4-8-15)26-21(31)32-14-16-9-5-2-6-10-16/h1-10,17,19,29H,11-14H2,(H,25,30)(H,26,31)(H,27,28)